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Compound Detail

CHEMBL338026

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c1cc2cc(CN3CCCNCCNCCCNCC3)ccc2cc1CN1CCCNCCNCCCNCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL338026
Phase Preclinical
Structure Type MOL
InChI Key JEVFAVNWHADTDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

552.9
MW (Da)
1.57
ALogP
8
HBA
6
HBD
78.7
PSA (Ų)
0.34
QED
2
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H56N8
MW 552.86
Aromatic Rings 2
Heavy Atoms 40
NP-Likeness -0.39

Data from ChEMBL 36 via Core Engine